SCHEMBL8340871

SCHEMBL8340871

CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(C(C)C)cc1)C1CCc2ccccc2CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 12/20 0.42
DCUN1D1 Q96GG9 12/20 0.42
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SOAT1 P35610 3/20 0.37
GCGR P47871 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8339190 0.92 UBE2M (0.39) UBE2MDCUN1D1POLBSOAT1GCGR
SCHEMBL8338752 0.85 UBE2M (0.39) UBE2MDCUN1D1POLB
SCHEMBL8345061 0.82 GCGR (0.39) UBE2MDCUN1D1SOAT1GCGR
SCHEMBL8345291 0.81 SLC6A2 (0.40) UBE2MDCUN1D1SOAT1GCGR
SCHEMBL8338160 0.81 SLC6A2 (0.44) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL8344843 0.81 KDM4E (0.42) UBE2MDCUN1D1KDM4EALDH1A1CYP1A2
SCHEMBL8341238 0.80 UBE2M (0.40) UBE2MDCUN1D1GCGR
SCHEMBL8341852 0.80 UBE2M (0.42) UBE2MDCUN1D1POLBKDM4EALDH1A1
SCHEMBL8808860 0.80 USP2 (0.43) UBE2MDCUN1D1POLBKDM4EALDH1A1
SCHEMBL8856219 0.80 UBE2M (0.39) UBE2MDCUN1D1KDM4ECYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP claimed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 US disclosed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO disclosed